(2S)-2-benzamido-6-[2-[[3-[[2-[[(5S)-5-benzamido-6-oxidanyl-6-oxidanylidene-hexyl]amino]-2-oxidanylidene-ethyl]carbamoyl]phenyl]carbonylamino]ethanoylamino]hexanoic acid

Systemtic Name: (2S)-2-benzamido-6-[2-[[3-[[2-[[(5S)-5-benzamido-6-oxidanyl-6-oxidanylidene-hexyl]amino]-2-oxidanylidene-ethyl]carbamoyl]phenyl]carbonylamino]ethanoylamino]hexanoic acid Openeye Name: (2S)-2-benzamido-6-[[2-[[3-[[2-[[(5S)-5-benzamido-6-hydroxy-6-oxo-hexyl]amino]-2-oxo-ethyl]carbamoyl]benzoyl]amino]acetyl]amino]hexanoic acid CAS Name: (2S)-2-benzamido-6-[[2-[[[3-[[[2-[[(5S)-5-benzamido-6-hydroxy-6-oxohexyl]amino]-2-oxoethyl]amino]-oxomethyl]phenyl]-oxomethyl]amino]-1-oxoethyl]amino]hexanoic acid IUPAC Name: (2S)-2-benzamido-6-[[2-[[3-[[2-[[(5S)-5-benzamido-6-hydroxy-6-oxohexyl]amino]-2-oxoethyl]carbamoyl]benzoyl]amino]acetyl]amino]hexanoic acid Traditional Name: (2S)-2-benzamido-6-[[2-[[3-[[2-[[(5S)-5-benzamido-6-hydroxy-6-keto-hexyl]amino]-2-keto-ethyl]carbamoyl]benzoyl]amino]acetyl]amino]hexanoic acid Formula: C38H44N6O10 MolecularWeight: 744.79016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CCCCNC(=O)CNC(=O)C2=CC(=CC=C2)C(=O)NCC(=O)NCCCCC(C(=O)O)NC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](CCCCNC(=O)CNC(=O)C2=CC(=CC=C2)C(=O)NCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C38H44N6O10/c45-31(39-20-9-7-18-29(37(51)52)43-35(49)25-12-3-1-4-13-25)23-41-33(47)27-16-11-17-28(22-27)34(48)42-24-32(46)40-21-10-8-19-30(38(53)54)44-36(50)26-14-5-2-6-15-26/h1-6,11-17,22,29-30H,7-10,18-21,23-24H2,(H,39,45)(H,40,46)(H,41,47)(H,42,48)(H,43,49)(H,44,50)(H,51,52)(H,53,54)/t29-,30-/m0/s1